N-(3-acetylphenyl)-5-amino-1-(2-methylphenyl)triazole-4-carboxamide

C18H17N5O2 — CID 17015846

IUPACN-(3-acetylphenyl)-5-amino-1-(2-methylphenyl)triazole-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2nnn(-c3ccccc3C)c2N)c1
InChIInChI=1S/C18H17N5O2/c1-11-6-3-4-9-15(11)23-17(19)16(21-22-23)18(25)20-14-8-5-7-13(10-14)12(2)24/h3-10H,19H2,1-2H3,(H,20,25)
InChIKeyIYLBNSJJRFDCMT-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.61
Rot. Bonds4

About N-(3-acetylphenyl)-5-amino-1-(2-methylphenyl)triazole-4-carboxamide

N-(3-acetylphenyl)-5-amino-1-(2-methylphenyl)triazole-4-carboxamide (PubChem CID 17015846) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-amino-1-(2-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-amino-1-(2-methylphenyl)triazole-4-carboxamide
PubChem CID17015846
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-(3-acetylphenyl)-5-amino-1-(2-methylphenyl)triazole-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2nnn(-c3ccccc3C)c2N)c1
InChIInChI=1S/C18H17N5O2/c1-11-6-3-4-9-15(11)23-17(19)16(21-22-23)18(25)20-14-8-5-7-13(10-14)12(2)24/h3-10H,19H2,1-2H3,(H,20,25)
InChIKeyIYLBNSJJRFDCMT-UHFFFAOYSA-N
XLogP2.61
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide
CID 17014902
5-amino-N-(4-bromophenyl)-1-(2-methylphenyl)triazole-4-carboxamide
CID 140862073
5-amino-1-(2-methylphenyl)-N-propan-2-yltriazole-4-carboxamide
CID 27261922
5-amino-1-(2-methylphenyl)triazole-4-carboxylic acid
CID 82285356
5-amino-N-benzyl-1-(2-methylphenyl)triazole-4-carboxamide
CID 17015755
N-(3-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 16508641
ethyl 3-[[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16648450
5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 27262208
5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7442535
5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 27262034
methyl 3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]benzoate
CID 15944111
N-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide
CID 110861072

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-amino-1-(2-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-amino-1-(2-methylphenyl)triazole-4-carboxamide (CID 17015846) is N-(3-acetylphenyl)-5-amino-1-(2-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-amino-1-(2-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-amino-1-(2-methylphenyl)triazole-4-carboxamide is CC(=O)c1cccc(NC(=O)c2nnn(-c3ccccc3C)c2N)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-amino-1-(2-methylphenyl)triazole-4-carboxamide?
The InChIKey is IYLBNSJJRFDCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-11-6-3-4-9-15(11)23-17(19)16(21-22-23)18(25)20-14-8-5-7-13(10-14)12(2)24/h3-10H,19H2,1-2H3,(H,20,25).
What are the key properties of N-(3-acetylphenyl)-5-amino-1-(2-methylphenyl)triazole-4-carboxamide?
N-(3-acetylphenyl)-5-amino-1-(2-methylphenyl)triazole-4-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-amino-1-(2-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 17015846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).